5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid

C14H10F2INO3 — CID 159875518

IUPAC5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1c(Cc2ccc(I)cc2F)c(C(=O)O)cc(F)c1=O
InChIInChI=1S/C14H10F2INO3/c1-18-12(4-7-2-3-8(17)5-10(7)15)9(14(20)21)6-11(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21)
InChIKeyNSVXAOKQVUFAPZ-UHFFFAOYSA-N
MW405.14 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid

5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 159875518) has the molecular formula C14H10F2INO3 and a molecular weight of 405.14 g/mol. Its IUPAC name is 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID159875518
Molecular FormulaC14H10F2INO3
Molecular Weight405.14 g/mol
Exact Mass404.97
IUPAC Name5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1c(Cc2ccc(I)cc2F)c(C(=O)O)cc(F)c1=O
InChIInChI=1S/C14H10F2INO3/c1-18-12(4-7-2-3-8(17)5-10(7)15)9(14(20)21)6-11(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21)
InChIKeyNSVXAOKQVUFAPZ-UHFFFAOYSA-N
XLogP2.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896680
1-(2-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 16896681
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764857
5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 58110786
2-[(4-Bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
CID 58360697
5-Bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
CID 58360742
Methyl 2-[(2-fluoro-4-iodophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360866
2-[(2-Fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 58368279
2-[(2-Fluoro-4-iodophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 58368320
1-[(2,4-Difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
CID 59718762
1-[(3,4-Difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
CID 59718853
6-(2-Fluorophenyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid (CID 159875518) is 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid is Cn1c(Cc2ccc(I)cc2F)c(C(=O)O)cc(F)c1=O.
What is the InChIKey of 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is NSVXAOKQVUFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INO3/c1-18-12(4-7-2-3-8(17)5-10(7)15)9(14(20)21)6-11(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21).
What are the key properties of 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 405.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 159875518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).